6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one

C10H13ClN2O3 — CID 107137211

IUPAC6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCCOC2)c1=O
InChIInChI=1S/C10H13ClN2O3/c1-15-8-9(11)12-6-13(10(8)14)7-3-2-4-16-5-7/h6-7H,2-5H2,1H3
InChIKeyJTMYWVDPLUVDFG-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.26
Rot. Bonds2

About 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one

6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one (PubChem CID 107137211) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one
PubChem CID107137211
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCCOC2)c1=O
InChIInChI=1S/C10H13ClN2O3/c1-15-8-9(11)12-6-13(10(8)14)7-3-2-4-16-5-7/h6-7H,2-5H2,1H3
InChIKeyJTMYWVDPLUVDFG-UHFFFAOYSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one (CID 107137211) is 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one is COc1c(Cl)ncn(C2CCCOC2)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one?
The InChIKey is JTMYWVDPLUVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-15-8-9(11)12-6-13(10(8)14)7-3-2-4-16-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one has a molecular weight of 244.68 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 107137211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).